[3-[[(4-chlorophenyl)carbonyl-(2-methoxyethyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[(4-chlorophenyl)carbonyl-(2-methoxyethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[(4-chlorobenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[[(4-chlorophenyl)-oxomethyl]-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(4-chlorobenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[(4-chlorobenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C18H20ClNO5S MolecularWeight: 397.8731

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC1=CC(=CC=C1)OS(=O)(=O)C)C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

COCCN(CC1=CC(=CC=C1)OS(=O)(=O)C)C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H20ClNO5S/c1-24-11-10-20(18(21)15-6-8-16(19)9-7-15)13-14-4-3-5-17(12-14)25-26(2,22)23/h3-9,12H,10-11,13H2,1-2H3